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Compound Detail

CHEMBL3930003

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COCCOc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3930003
Phase Preclinical
Structure Type MOL
InChI Key VCXJRGKNKPVLFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

613.1
MW (Da)
6.60
ALogP
9
HBA
3
HBD
124.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H34ClFN4O6
MW 613.09
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.09

Data from ChEMBL 36 via Core Engine